N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide

C16H15ClN2O3 — CID 789926

IUPACN'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-22-14-4-2-3-12(10-14)16(21)19-18-15(20)9-11-5-7-13(17)8-6-11/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUHXTZAHIEYURMJ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.35
Rot. Bonds4

About N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide (PubChem CID 789926) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide
PubChem CID789926
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide
SMILESCOc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-22-14-4-2-3-12(10-14)16(21)19-18-15(20)9-11-5-7-13(17)8-6-11/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyUHXTZAHIEYURMJ-UHFFFAOYSA-N
XLogP2.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide (CID 789926) is N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide is COc1cccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide?
The InChIKey is UHXTZAHIEYURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-22-14-4-2-3-12(10-14)16(21)19-18-15(20)9-11-5-7-13(17)8-6-11/h2-8,10H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide has a molecular weight of 318.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-3-methoxybenzohydrazide is sourced from PubChem (CID 789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).